2-(butan-2-ylamino)-N-[1-(3-hydroxyphenyl)ethyl]acetamide

C14H22N2O2 — CID 54925343

IUPAC2-(butan-2-ylamino)-N-[1-(3-hydroxyphenyl)ethyl]acetamide
SMILESCCC(C)NCC(=O)NC(C)c1cccc(O)c1
InChIInChI=1S/C14H22N2O2/c1-4-10(2)15-9-14(18)16-11(3)12-6-5-7-13(17)8-12/h5-8,10-11,15,17H,4,9H2,1-3H3,(H,16,18)
InChIKeySXMXZWMEOIYPTM-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.96
Rot. Bonds6

About 2-(butan-2-ylamino)-N-[1-(3-hydroxyphenyl)ethyl]acetamide

2-(butan-2-ylamino)-N-[1-(3-hydroxyphenyl)ethyl]acetamide (PubChem CID 54925343) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-N-[1-(3-hydroxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(butan-2-ylamino)-N-[1-(3-hydroxyphenyl)ethyl]acetamide
PubChem CID54925343
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-(butan-2-ylamino)-N-[1-(3-hydroxyphenyl)ethyl]acetamide
SMILESCCC(C)NCC(=O)NC(C)c1cccc(O)c1
InChIInChI=1S/C14H22N2O2/c1-4-10(2)15-9-14(18)16-11(3)12-6-5-7-13(17)8-12/h5-8,10-11,15,17H,4,9H2,1-3H3,(H,16,18)
InChIKeySXMXZWMEOIYPTM-UHFFFAOYSA-N
XLogP1.96
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(butan-2-ylamino)-N-[(1S)-1-phenylethyl]acetamide
CID 63867528
2-(butan-2-ylamino)-N-(3-hydroxyphenyl)acetamide
CID 61166125
3-amino-N-[1-(3-hydroxyphenyl)ethyl]butanamide
CID 60837485
2-(butan-2-ylamino)-N-(1-pyridin-3-ylethyl)acetamide
CID 60854286
2-(butan-2-ylamino)-N-[(1S)-1-pyridin-3-ylethyl]acetamide
CID 81404467
N-[1-(3-hydroxyphenyl)ethyl]-2-propan-2-yloxyacetamide
CID 112688965
(2S)-2-amino-N-[1-(3-hydroxyphenyl)ethyl]butanamide
CID 79025425
N-tert-butyl-2-[1-(3-hydroxyphenyl)ethylamino]acetamide
CID 113293150
N-[1-(4-bromophenyl)ethyl]-2-(butan-2-ylamino)acetamide
CID 60646828
N-[(1R)-1-(4-bromophenyl)ethyl]-2-(butan-2-ylamino)acetamide
CID 81359750
2-(butan-2-ylamino)-N-[(1S)-1-pyridin-4-ylethyl]acetamide
CID 81409809
[(1S)-1-(3-hydroxyphenyl)ethyl]urea
CID 130686101

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-N-[1-(3-hydroxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(butan-2-ylamino)-N-[1-(3-hydroxyphenyl)ethyl]acetamide (CID 54925343) is 2-(butan-2-ylamino)-N-[1-(3-hydroxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(butan-2-ylamino)-N-[1-(3-hydroxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(butan-2-ylamino)-N-[1-(3-hydroxyphenyl)ethyl]acetamide is CCC(C)NCC(=O)NC(C)c1cccc(O)c1.
What is the InChIKey of 2-(butan-2-ylamino)-N-[1-(3-hydroxyphenyl)ethyl]acetamide?
The InChIKey is SXMXZWMEOIYPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-10(2)15-9-14(18)16-11(3)12-6-5-7-13(17)8-12/h5-8,10-11,15,17H,4,9H2,1-3H3,(H,16,18).
What are the key properties of 2-(butan-2-ylamino)-N-[1-(3-hydroxyphenyl)ethyl]acetamide?
2-(butan-2-ylamino)-N-[1-(3-hydroxyphenyl)ethyl]acetamide has a molecular weight of 250.34 g/mol, XLogP of 1.96, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-N-[1-(3-hydroxyphenyl)ethyl]acetamide is sourced from PubChem (CID 54925343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).